SCHEMBL9517031

SCHEMBL9517031

CC(C)OCCCCS(=O)(=O)NC(=O)c1ccc(CO)nc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 1/20 0.39
GSK3B P49841 3/20 0.39
GABRA5 P31644 1/20 0.38
DEGS1 O15121 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
PTPN1 P18031 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9517223 0.93 P4HTM (0.41) P4HTML3MBTL1TSHRGSK3BGABRA5
SCHEMBL9515950 0.86 GABRA5 (0.40) P4HTML3MBTL1GABRA5MEN1NPC1
SCHEMBL9516030 0.85 GABRA5 (0.44) P4HTML3MBTL1GABRA5MEN1NPC1
SCHEMBL9516040 0.84 GABRA5 (0.41) P4HTML3MBTL1TSHRGSK3BGABRA5
SCHEMBL9516300 0.83 GABRA5 (0.48) P4HTML3MBTL1GABRA5ALDH1A1HDAC6
SCHEMBL9516953 0.81 P4HTM (0.39) P4HTML3MBTL1TSHRGSK3BGABRA5
SCHEMBL9518142 0.81 P4HTM (0.47) P4HTML3MBTL1GABRA5MEN1NPC1
SCHEMBL9517187 0.80 NPC1 (0.40) P4HTML3MBTL1GABRA5HDAC6MEN1
SCHEMBL9516209 0.80 P4HTM (0.38) P4HTML3MBTL1TSHRGSK3BGABRA5
SCHEMBL9517984 0.80 GABRA5 (0.42) P4HTML3MBTL1GABRA5MEN1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed